Cas no 74829-49-5 (1,4-Butane-1,1,2,2,3,3,4,4-d8-diol(9CI))

1,4-Butane-1,1,2,2,3,3,4,4-d8-diol(9CI) structure
74829-49-5 structure
Product Name:1,4-Butane-1,1,2,2,3,3,4,4-d8-diol(9CI)
CAS No:74829-49-5
MF:C4H10O2
MW:98.1702952384949
CID:562620
PubChem ID:16211763
Update Time:2025-04-19

1,4-Butane-1,1,2,2,3,3,4,4-d8-diol(9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,4-Butane-1,1,2,2,3,3,4,4-d8-diol(9CI)
    • 1,4-Butanediol-1,1,2,2,3,3,4,4-D8
    • [1,1,2,2,3,3,4,4-2H8]butane-1,4-diol
    • 1,1,2,2,3,3,4,4-d8-1,4-butanediol
    • 1,1,2,2,3,3,4,4-octadeutero-1,4-butanediol
    • 1,4-butanediol-d8
    • 269565_ALDRICH
    • butane-d8-1,4-diol
    • Butane-d8-diol
    • d8-butane-1,4-diol
    • DTXSID60583480
    • 1,4-Butanediol-1,1,2,2,3,3,4,4-d8, 98 atom % D
    • 74829-49-5
    • 1,1,2,2,3,3,4,4-octadeuteriobutane-1,4-diol
    • (~2~H_8_)Butane-1,4-diol
    • WERYXYBDKMZEQL-SVYQBANQSA-N
    • Inchi： 1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2/i1D2,2D2,3D2,4D2
    • InChI Key： WERYXYBDKMZEQL-SVYQBANQSA-N
    • SMILES： OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O

Computed Properties

  • Exact Mass: 98.118293525g/mol
  • Monoisotopic Mass: 98.118293525g/mol
  • Isotope Atom Count: 8
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 3
  • Complexity: 17.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.108?g/mL?at 25?°C
  • Melting Point: 16?°C(lit.)
  • Boiling Point: 230?°C(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.4427(lit.)
  • PSA: 40.46000
  • LogP: -0.24880

1,4-Butane-1,1,2,2,3,3,4,4-d8-diol(9CI) Security Information

1,4-Butane-1,1,2,2,3,3,4,4-d8-diol(9CI) Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
SA03947-1g
1,4-Butane-1,1,2,2,3,3,4,4-d8-diol(9CI)
 74829-49-5 99% (CP)
1g
 ￥6798.0 2024-07-18
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
269565-1G
1,4-Butane-1,1,2,2,3,3,4,4-d8-diol(9CI)
 74829-49-5
1g
 ￥3667.88 2023-12-09

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